Geometry & MOs

Info

ID:	312951
PubChem CID:	126610362
Reduced:	F2H28C29 (1)
Stoich.:	A2B28C29 (1)
Weight, g/mol:	402.215907
ΔH_f, kcal/mol:	-10.96
Dipole, Da:	0.84
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-enyl-4-[2-[4-(4-but-3-enylphenyl)-2-fluorophenyl]ethyl]-2-fluorobenzene

Drug info:

PubChemData

Smile

C/C=C/CCC1=CC=C(C=C1)C2=CC=C(C=C2)/C(=C(/C3=CC=C(C=C3)CCC=C)\F)/F

DOS

IR

Vibrations